Phenethylamine → [3,4-Diacetyloxy-5-[2-cyano-6-(2-phenylethylamino)purin-9-yl]oxolan-2-yl]methyl acetate
Reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([Cl:23])[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13].[CH2:38]([CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[NH2:46].[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:47][C:48]#[N:49]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([CH2:26][O:27][C:28]([CH3:29])=[O:30])[O:7][CH:8]([n:14]2[c:15]3[n:16][c:17]([C:24]#[N:25])[n:18][c:19]([NH:46][CH2:38][CH2:39][c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)[c:20]3[n:21][cH:22]2)[CH:9]1[O:10][C:11]([CH3:12])=[O:13]Participants
5
Sources & evidence
- ORD record
- ord-a378a52513e74787a8118ee73b2a3c39
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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